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Assay Detail

CHEMBL4001847

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Binding
Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta scintillation counting method
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Sodium-dependent serotonin transporter (CHEMBL228)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

X-ray structure based evaluation of analogs of citalopram: Compounds with increased affinity and selectivity compared with R-citalopram for the allosteric site (S2) on hSERT.
Topiol S, Bang-Andersen B, Sanchez C, Plenge P, Loland CJ, Juhl K, Larsen K, Bregnedal P, Bøgesø KP.
Bioorg Med Chem Lett (2017) 27 : 470 -478
PubMed 28041833 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 6.55 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1508 ESCITALOPRAM 4.0 1 8.00
CHEMBL4083258 1 7.12
CHEMBL4097442 1 6.80
CHEMBL4100796 1 6.72
CHEMBL4093087 1 6.55
CHEMBL4070256 1 5.96
CHEMBL4065415 1 5.64
CHEMBL4074032 1 5.62

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1508 ESCITALOPRAM IC50 = 10.0 nM 8.00
CHEMBL4083258 IC50 = 75.0 nM 7.12
CHEMBL4097442 IC50 = 160.0 nM 6.80
CHEMBL4100796 IC50 = 190.0 nM 6.72
CHEMBL4093087 IC50 = 280.0 nM 6.55
CHEMBL4070256 IC50 = 1100.0 nM 5.96
CHEMBL4065415 IC50 = 2300.0 nM 5.64
CHEMBL4074032 IC50 = 2400.0 nM 5.62